3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)thiolan-3-ol

C10H10N2O2S2 — CID 86803613

IUPAC3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)thiolan-3-ol
SMILESOC1(c2nc(-c3ccsc3)no2)CCSC1
InChIInChI=1S/C10H10N2O2S2/c13-10(2-4-16-6-10)9-11-8(12-14-9)7-1-3-15-5-7/h1,3,5,13H,2,4,6H2
InChIKeyJNFUHECOMXCZCJ-UHFFFAOYSA-N
MW254.34 g/mol
LogP2.12
Rot. Bonds2

About 3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)thiolan-3-ol

3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)thiolan-3-ol (PubChem CID 86803613) has the molecular formula C10H10N2O2S2 and a molecular weight of 254.34 g/mol. Its IUPAC name is 3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)thiolan-3-ol.

Molecular Properties

Compound Name3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)thiolan-3-ol
PubChem CID86803613
Molecular FormulaC10H10N2O2S2
Molecular Weight254.34 g/mol
Exact Mass254.02
IUPAC Name3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)thiolan-3-ol
SMILESOC1(c2nc(-c3ccsc3)no2)CCSC1
InChIInChI=1S/C10H10N2O2S2/c13-10(2-4-16-6-10)9-11-8(12-14-9)7-1-3-15-5-7/h1,3,5,13H,2,4,6H2
InChIKeyJNFUHECOMXCZCJ-UHFFFAOYSA-N
XLogP2.12
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)thiolan-3-ol?
The IUPAC name of 3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)thiolan-3-ol (CID 86803613) is 3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)thiolan-3-ol.
What is the SMILES notation for 3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)thiolan-3-ol?
The canonical SMILES for 3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)thiolan-3-ol is OC1(c2nc(-c3ccsc3)no2)CCSC1.
What is the InChIKey of 3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)thiolan-3-ol?
The InChIKey is JNFUHECOMXCZCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2S2/c13-10(2-4-16-6-10)9-11-8(12-14-9)7-1-3-15-5-7/h1,3,5,13H,2,4,6H2.
What are the key properties of 3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)thiolan-3-ol?
3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)thiolan-3-ol has a molecular weight of 254.34 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)thiolan-3-ol is sourced from PubChem (CID 86803613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).